| Entry |
|
|---|
| Name |
Calicheamicin gamma(1)I;
Calichemicin gamma1
|
|---|
| Formula |
C55H74IN3O21S4
|
|---|
| Exact mass |
1367.2742
|
|---|
| Mol weight |
1368.36
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01059 | Biosynthesis of enediyne antibiotics |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00833 | Calicheamicin biosynthesis, calicheamicinone => calicheamicin |
|
|---|
| Enzyme |
2.4.1.- 2.4.2.-
|
|---|
| Brite |
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C11469
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 84
1 N1b N 41.1374 -15.8639
2 C7a C 41.9619 -15.2279
3 O7a O 43.0604 -15.8639
4 C2y C 39.3760 -16.1464
5 C1b C 34.0823 -17.0254
6 C2b C 35.1807 -16.3193
7 S3a S 32.9906 -16.3893
8 C1z C 37.7194 -15.6941
9 C1x C 38.4931 -14.9381
10 C5x C 39.6977 -14.9381
11 C2y C 36.4442 -16.3303
12 C2y C 38.1038 -16.9717
13 O5x O 40.6457 -14.0947
14 O1a O 36.4422 -14.9947
15 C0 C 39.6948 -16.6513
16 C1y C 37.2720 -17.8052
17 C0 C 38.4961 -18.1919
18 C0 C 39.6281 -18.6352
19 C2x C 40.9087 -19.0148
20 C2x C 41.3095 -18.1259
21 C0 C 40.4739 -17.2239
22 S3a S 31.8989 -17.0254
23 S3a S 30.8074 -16.3893
24 C1a C 29.7159 -17.0254
25 O2a O 37.2547 -19.3211
26 C1b C 29.0060 -23.4651
27 N1b N 30.1118 -22.8221
28 C1a C 27.8933 -22.8221
29 C1y C 33.3915 -19.1460
30 C1y C 31.8408 -18.9412
31 C1y C 32.6782 -20.2413
32 C1y C 34.3728 -19.5994
33 C1y C 35.8608 -20.0506
34 O2x O 34.6216 -18.6167
35 C1a C 32.8130 -18.1027
36 N1b N 30.6385 -19.4359
37 C1y C 25.5555 -18.4767
38 C1y C 24.0045 -18.2789
39 C1y C 24.8422 -19.5790
40 C1x C 26.5296 -18.9300
41 C1y C 28.0176 -19.3884
42 O2x O 26.7855 -17.9545
43 C1a C 24.9699 -17.4404
44 S2a S 22.7599 -18.9220
45 O1a O 24.8212 -20.9783
46 O2a O 29.3187 -18.8038
47 O2x O 15.5606 -22.6938
48 C1y C 14.3843 -22.1779
49 C1y C 13.2574 -23.4710
50 C1y C 14.5967 -23.2166
51 C1y C 16.2402 -23.8004
52 C1y C 17.1818 -22.3113
53 C1a C 13.0981 -22.2052
54 O1a O 11.8803 -23.3215
55 O2a O 14.0518 -24.5025
56 C1a C 12.7900 -25.0604
57 O1a O 16.2648 -25.2007
58 O2a O 17.1182 -20.8761
59 C8y C 18.3030 -18.8143
60 C8y C 18.3030 -20.0793
61 C8y C 19.3975 -20.7151
62 C8y C 20.4780 -20.0793
63 C8y C 20.4780 -18.8143
64 C8y C 19.3975 -18.1855
65 C1a C 19.3921 -16.9276
66 C5a C 21.5770 -18.1863
67 O2a O 21.5770 -20.7143
68 O2a O 19.3921 -21.9801
69 X I 17.2049 -18.1848
70 O5a O 21.5782 -16.9284
71 C1a C 22.6539 -20.0915
72 O2a O 35.2988 -21.0063
73 O2x O 33.6230 -22.7219
74 C1x C 32.4467 -22.2131
75 C1y C 31.3198 -23.4992
76 C1y C 32.6591 -23.2449
77 C1x C 34.3026 -23.8285
78 C1y C 35.2442 -22.3395
79 O2a O 32.1352 -24.4813
80 C1a C 30.8593 -25.0462
81 O1a O 31.6012 -20.1012
82 O6a O 41.9214 -13.8293
83 C1a C 44.1534 -15.2305
84 C1a C 20.6809 -22.6801
BOND 90
1 40 41 1
2 10 4 1
3 41 42 1
4 18 19 1
5 37 43 1
6 5 6 1
7 38 44 1
8 19 20 2
9 39 45 1
10 7 22 1
11 41 46 1
12 22 23 1
13 47 52 1
14 15 21 3
15 47 48 1
16 23 24 1
17 48 49 1
18 49 50 1
19 16 25 1 #Down
20 50 51 1
21 8 11 1
22 51 52 1
23 48 53 1
24 20 21 1
25 49 54 1
26 11 6 2
27 50 55 1
28 26 27 1
29 55 56 1
30 11 12 1
31 51 57 1
32 26 28 1
33 52 58 1
34 1 2 1
35 29 34 1
36 4 12 2
37 29 30 1
38 5 7 1
39 30 31 1
40 10 13 2
41 31 32 1
42 4 1 1
43 32 33 1
44 8 14 1 #Down
45 33 34 1
46 8 15 1
47 29 35 1
48 59 60 2
49 60 61 1
50 61 62 2
51 62 63 1
52 63 64 2
53 64 59 1
54 64 65 1
55 63 66 1
56 62 67 1
57 61 68 1
58 60 58 1
59 59 69 1
60 66 44 1
61 66 70 2
62 67 71 1
63 46 36 1
64 33 25 1
65 32 72 1
66 8 9 1
67 73 78 1
68 30 36 1
69 73 74 1
70 12 16 1
71 74 75 1
72 37 42 1
73 75 76 1
74 2 3 1
75 76 77 1
76 37 38 1
77 77 78 1
78 16 17 1
79 76 79 1
80 38 39 1
81 79 80 1
82 78 72 1
83 75 27 1
84 9 10 1
85 31 81 1
86 2 82 2
87 39 40 1
88 3 83 1
89 17 18 3
90 68 84 1
|
|---|
